3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide

C10H10ClF2NO3 — CID 113472136

IUPAC3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide
SMILESO=C(NCC(F)(F)CO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H10ClF2NO3/c11-7-3-6(1-2-8(7)16)9(17)14-4-10(12,13)5-15/h1-3,15-16H,4-5H2,(H,14,17)
InChIKeyRUKQZVNQVRRZAP-UHFFFAOYSA-N
MW265.64 g/mol
LogP1.40
Rot. Bonds4

About 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide

3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide (PubChem CID 113472136) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide
PubChem CID113472136
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Name3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide
SMILESO=C(NCC(F)(F)CO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H10ClF2NO3/c11-7-3-6(1-2-8(7)16)9(17)14-4-10(12,13)5-15/h1-3,15-16H,4-5H2,(H,14,17)
InChIKeyRUKQZVNQVRRZAP-UHFFFAOYSA-N
XLogP1.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-hydroxy-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115665361
3-chloro-4-hydroxybenzohydrazide
CID 10954268
3-chloro-N-(3-chloropropyl)-4-hydroxybenzamide
CID 114293588
3-chloro-4-hydroxy-N-[3-(hydroxymethyl)pentan-3-yl]benzamide
CID 62517786
3-chloro-N-[(4-fluorophenyl)methyl]-4-hydroxybenzamide
CID 4807069
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
3-chloro-4-hydroxy-N-(1-methoxy-2-methylpropan-2-yl)benzamide
CID 113470520
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-4-hydroxybenzamide
CID 62666300
N-(2,2-difluoro-3-hydroxypropyl)-3-methyl-4-nitrobenzamide
CID 104862723

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide (CID 113472136) is 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide is O=C(NCC(F)(F)CO)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide?
The InChIKey is RUKQZVNQVRRZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c11-7-3-6(1-2-8(7)16)9(17)14-4-10(12,13)5-15/h1-3,15-16H,4-5H2,(H,14,17).
What are the key properties of 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide?
3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide has a molecular weight of 265.64 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybenzamide is sourced from PubChem (CID 113472136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).